SCHEMBL5127946

SCHEMBL5127946

CC(=O)Nc1nc(O)c2cc(-c3ccc(F)cc3)ccc2n1.CCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(OC)c(OC)c3)cc12.COc1ccc(-c2ccc3nc(NC(C)=O)nc(OC4CCCC4)c3c2)cc1OC.COc1ccc(-c2ccc3nc(NC(C)=O)nc(OCc4ccccc4)c3c2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
APP P05067 1/20 0.37
PDE4A P27815 7/20 0.37
PDE4B Q07343 7/20 0.37
PDE4C Q08493 7/20 0.37
PDE4D Q08499 7/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
ACACB O00763 1/20 0.36
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
TSHR P16473 1/20 0.35
RIPK1 Q13546 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
DHODH Q02127 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5127968 0.92 CNR1 (0.35) ACACBTSHRTDP1DHODH
SCHEMBL3338586 0.80 ACHE (0.54) ACHEAPPPDE4APDE4BPDE4C
SCHEMBL3334990 0.80 PIK3CD (0.50) ACHEAPPPDE4APDE4BPDE4C
SCHEMBL3334512 0.78 ABL1 (0.42) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL3341092 0.78 ACHE (0.48) ACHEAPPPIK3CDPIK3CAPIK3CB
SCHEMBL3334534 0.78 DHODH (0.48) ACHEAPPPIK3CAPIK3CGDHODH
SCHEMBL5129286 0.78 NPR1 (0.35) RIPK1
SCHEMBL3335706 0.77 NAMPT (0.42) PIK3CADHODH
SCHEMBL5129448 0.76 JAK2 (0.43) ACHEAPPTSHRTDP1
SCHEMBL3341513 0.74 ACHE (0.48) ACHEAPPPIK3CDPIK3CAPIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed